4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole

C22H19N3O2 — CID 122188130

IUPAC4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole
SMILESCOc1ccc(-c2cnn(-c3ccccc3-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H19N3O2/c1-26-18-11-7-16(8-12-18)20-5-3-4-6-22(20)25-23-15-21(24-25)17-9-13-19(27-2)14-10-17/h3-15H,1-2H3
InChIKeyMEGVEVPYATUPND-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.62
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole

4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole (PubChem CID 122188130) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole
PubChem CID122188130
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole
SMILESCOc1ccc(-c2cnn(-c3ccccc3-c3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C22H19N3O2/c1-26-18-11-7-16(8-12-18)20-5-3-4-6-22(20)25-23-15-21(24-25)17-9-13-19(27-2)14-10-17/h3-15H,1-2H3
InChIKeyMEGVEVPYATUPND-UHFFFAOYSA-N
XLogP4.62
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-bis(4-methoxyphenyl)-1H-pyrazole
CID 3835198
3-(4-methoxyphenyl)-4H-pyrazol-4-one N-phenylhydrazone
CID 3280573
3,4-Bis(4-methoxyphenyl)-6-phenylpyridazine
CID 12113842
5-(4-Methoxyphenyl)-1H-1,2,3-triazole
CID 600260
5-(4-Methoxyphenyl)-1-[(4-methoxyphenyl)methyl]triazole
CID 57390247
4-(2,5-Dimethoxyphenyl)-2-phenyltriazole
CID 122188127
4-[2-[4-(4-Hydroxyphenyl)triazol-2-yl]phenyl]phenol
CID 137133385
4-[3-(2-Ethylhexoxy)phenyl]-2-methyltriazole
CID 145966608
4-(4-Methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]triazole
CID 172433370
1-[2-[4-(4-methoxyphenyl)triazol-2-yl]phenyl]-N,N-dimethylmethanamine
CID 172435074
2-(4-Methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]triazole
CID 172435605
2-[Bis(4-methoxyphenyl)methyl]-2H-1,2,3-benzotriazole
CID 3554312

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole?
The IUPAC name of 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole (CID 122188130) is 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole?
The canonical SMILES for 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole is COc1ccc(-c2cnn(-c3ccccc3-c3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole?
The InChIKey is MEGVEVPYATUPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-26-18-11-7-16(8-12-18)20-5-3-4-6-22(20)25-23-15-21(24-25)17-9-13-19(27-2)14-10-17/h3-15H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole?
4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole has a molecular weight of 357.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)phenyl]triazole is sourced from PubChem (CID 122188130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).